Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Butanedione. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Butanedione SCHEMBL27749059 | 1.00 | — | — | |
| Butanedione SCHEMBL11849854 | 0.94 | — | — | |
| Butanedione SCHEMBL1867426 | 0.94 | TSHR (1.00) | — | |
| Butanedione SCHEMBL20472 | 0.94 | — | — | |
| Butanedione SCHEMBL6135875 | 0.88 | — | — | |
| Butanedione SCHEMBL1673412 | 0.88 | — | — | |
| Butanedione SCHEMBL3831305 | 0.88 | — | — | |
| Butanedione SCHEMBL3398297 | 0.88 | — | — | |
| Butanedione SCHEMBL3179780 | 0.88 | — | — | |
| Butanedione SCHEMBL7168436 | 0.88 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5591425-A | AMPHOTERIC TERPOLYMER OF ACRYLIC ACID, ACRYLAMIDE, AND DIALLYLDIMETHYLAMMONIUM CHLORIDE | PRO-LINE CORPORATION (US) | 1997-01-07 | — | — | US | claimed |
| CN-114732794-B | Redox double-sensitive nano drug delivery system and preparation method and application thereof | 中山大学附属第七医院(深圳) | 2022-08-30 | — | — | CN | disclosed |
| CN-114181590-B | Waterborne epoxy antistatic self-leveling floor finish paint composition and construction method | 厦门安必信新材料科技有限公司 | 2022-07-22 | — | — | CN | disclosed |
| CN-114732794-A | Redox double-sensitive nano drug delivery system and preparation method and application thereof | 中山大学附属第七医院(深圳) | 2022-07-12 | — | — | CN | disclosed |
| CN-113248472-B | Anti-osteoporosis compound and derivative thereof, pharmaceutical composition, preparation method and application | 中国药科大学 | 2022-06-28 | — | — | CN | disclosed |
| CN-114181590-A | Waterborne epoxy antistatic self-leveling floor finish paint composition and construction method | 厦门安必信新材料科技有限公司 | 2022-03-15 | — | — | CN | disclosed |
| CN-108653221-B | Pharmaceutical dosage forms and uses thereof | 南京三迭纪医药科技有限公司 | 2021-09-07 | — | — | CN | disclosed |
| CN-108721242-B | Pharmaceutical dosage forms and uses thereof | 南京三迭纪医药科技有限公司 | 2021-03-02 | — | — | CN | disclosed |
| CN-108299633-B | ferrocene-DOPO double-base polyester type flame-retardant smoke suppressant and preparation method thereof and application of ferrocene-DOPO double-base polyester type flame-retardant smoke suppressant in flame-retardant polymer | 西南科技大学 | 2020-07-07 | — | — | CN | disclosed |
| CN-104088145-A | Preparation method of waterproof woolen fabric | CHENGDU LYUKE HUATONG SCIENCE & TECHNOLOGY CO LTD | 2014-10-08 | — | — | CN | disclosed |
| US-6699870-B2 | Phthalazine compounds and therapeutic agents for erectile dysfunction | EISAI CO., LTD. (JP) | 2004-03-02 | — | — | US | disclosed |
| US-20030199710-A1 | Functionalized higher diamondoids | CHEVRON U.S.A. INC. | 2003-10-23 | — | — | US | disclosed |
| WO-2003050066-A1 | FUNCTIONALIZED HIGHER DIAMONDOIDS | CHEVRON U.S.A. INC. (US) | 2003-06-19 | — | — | WO | disclosed |
| US-20030105074-A1 | Phthalazine compounds and therapeutic agents for erectile dysfunction | EISAI CO., LTD. | 2003-06-05 | — | — | US | disclosed |
| US-6498159-B1 | SUCH AS 4-((3-CHLORO-4-METHOXYBENZYL)AMINO)-1-((4-HYDROXY-4 -HYDROXYMETHYL)PIPERIDINO)-6-PHTHALAZINE CARBONITRILE | EISAI CO., LTD. (JP) | 2002-12-24 | — | — | US | disclosed |
| EP-1057819-A1 | PHTHALAZINE DERIVATIVES AND REMEDIES FOR ERECTILE DYSFUNCTION | Eisai Co., Ltd. (JP) | 2000-12-06 | — | — | EP | disclosed |
| EP-1006136-A1 | Solid-liquid phase interfacial polymerisation | DOW CORNING CORPORATION (US) | 2000-06-07 | — | — | EP | disclosed |
| US-6046293-A | Solid-liquid phase interfacial polymerization | UNIVERSITY OF SOUTH AUSTRALIA (AU) | 2000-04-04 | — | — | US | disclosed |
| EP-0223613-A2 | Compounds that selectively bind sodium | AMERSHAM INTERNATIONAL plc (GB) | 1987-05-27 | — | — | EP | disclosed |
| US-4130661-A | ANTICOCCIDIAL | MERCK & CO., INC. (US) | 1978-12-19 | — | — | US | disclosed |